N-[(Z)-1-(4-hydroxyphenyl)propylideneamino]-2-methylbenzamide

C17H18N2O2 — CID 135458714

IUPACN-[(Z)-1-(4-hydroxyphenyl)propylideneamino]-2-methylbenzamide
SMILESCC/C(=N/NC(=O)c1ccccc1C)c1ccc(O)cc1
InChIInChI=1S/C17H18N2O2/c1-3-16(13-8-10-14(20)11-9-13)18-19-17(21)15-7-5-4-6-12(15)2/h4-11,20H,3H2,1-2H3,(H,19,21)/b18-16-
InChIKeyJDFNYRILDWAKHM-VLGSPTGOSA-N
MW282.34 g/mol
LogP3.24
Rot. Bonds4

About N-[(Z)-1-(4-hydroxyphenyl)propylideneamino]-2-methylbenzamide

N-[(Z)-1-(4-hydroxyphenyl)propylideneamino]-2-methylbenzamide (PubChem CID 135458714) has the molecular formula C17H18N2O2 and a molecular weight of 282.34 g/mol. Its IUPAC name is N-[(Z)-1-(4-hydroxyphenyl)propylideneamino]-2-methylbenzamide.

Molecular Properties

Compound NameN-[(Z)-1-(4-hydroxyphenyl)propylideneamino]-2-methylbenzamide
PubChem CID135458714
Molecular FormulaC17H18N2O2
Molecular Weight282.34 g/mol
Exact Mass282.14
IUPAC NameN-[(Z)-1-(4-hydroxyphenyl)propylideneamino]-2-methylbenzamide
SMILESCC/C(=N/NC(=O)c1ccccc1C)c1ccc(O)cc1
InChIInChI=1S/C17H18N2O2/c1-3-16(13-8-10-14(20)11-9-13)18-19-17(21)15-7-5-4-6-12(15)2/h4-11,20H,3H2,1-2H3,(H,19,21)/b18-16-
InChIKeyJDFNYRILDWAKHM-VLGSPTGOSA-N
XLogP3.24
TPSA61.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.34
LogP ≤ 53.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_B(215)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-(4-hydroxy-3,5-dimethylphenyl)-2-methylphthalazin-1(2H)-one
CID 624420
4-Hydroxybenzoic (2-hydroxybenzylidene)hydrazide
CID 135778696
Gsk 4716
CID 5331325
Nsc204792
CID 135459102
Salicylic (4-hydroxybenzylidene)hydrazide
CID 135504499
(E)-N'-(4-hydroxybenzylidene)benzohydrazide
CID 135459360
N'-(1,3-dimethylbutylidene)-3-hydroxy-2-naphthohydrazide
CID 5779530
N'-cyclopentylidene-4-hydroxybenzohydrazide
CID 789182
N'-[(1Z)-1-(3-hydroxyphenyl)ethylidene]biphenyl-4-carbohydrazide
CID 6081739
4-hydroxy-N-[(E)-[2-(trifluoromethyl)phenyl]methylideneamino]benzamide
CID 6906200
N-[(E)-(5,7-dimethyl-3,4-dihydro-2H-naphthalen-1-ylidene)amino]-4-hydroxybenzamide
CID 9684188
N'-[(1E)-1-(4-hydroxyphenyl)ethylidene]-2,2-diphenylacetohydrazide
CID 135603353

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-1-(4-hydroxyphenyl)propylideneamino]-2-methylbenzamide?
The IUPAC name of N-[(Z)-1-(4-hydroxyphenyl)propylideneamino]-2-methylbenzamide (CID 135458714) is N-[(Z)-1-(4-hydroxyphenyl)propylideneamino]-2-methylbenzamide.
What is the SMILES notation for N-[(Z)-1-(4-hydroxyphenyl)propylideneamino]-2-methylbenzamide?
The canonical SMILES for N-[(Z)-1-(4-hydroxyphenyl)propylideneamino]-2-methylbenzamide is CC/C(=N/NC(=O)c1ccccc1C)c1ccc(O)cc1.
What is the InChIKey of N-[(Z)-1-(4-hydroxyphenyl)propylideneamino]-2-methylbenzamide?
The InChIKey is JDFNYRILDWAKHM-VLGSPTGOSA-N. The full InChI is InChI=1S/C17H18N2O2/c1-3-16(13-8-10-14(20)11-9-13)18-19-17(21)15-7-5-4-6-12(15)2/h4-11,20H,3H2,1-2H3,(H,19,21)/b18-16-.
What are the key properties of N-[(Z)-1-(4-hydroxyphenyl)propylideneamino]-2-methylbenzamide?
N-[(Z)-1-(4-hydroxyphenyl)propylideneamino]-2-methylbenzamide has a molecular weight of 282.34 g/mol, XLogP of 3.24, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-1-(4-hydroxyphenyl)propylideneamino]-2-methylbenzamide is sourced from PubChem (CID 135458714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).